3-fluoro-5-methoxypyridine

• ChemBase ID: 54400
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: c1c(cc(cn1)OC)F
• Canonical SMILES: COc1cc(F)cnc1
• InChI: InChI=1S/C6H6FNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3
• InChIKey: LVRXPWCFOHZWOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-methoxypyridine
• IUPAC Traditional name: 3-fluoro-5-methoxypyridine
• Synonyms: 3-Fluoro-5-methoxypyridine

Database IDs

• CAS Number: 1060801-62-8
• MDL Number: MFCD13185606
• PubChem SID: 162059163
• PubChem CID: 46911835

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.740363
• LogD (pH = 7.4): 0.740601
• Log P: 0.74060404
• Molar Refractivity: 30.5807 cm^3
• Polarizability: 11.672486 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%